4-ethyl-5-fluoro-1,3-dimethylcyclopentene

C9H15F — CID 142867206

IUPAC4-ethyl-5-fluoro-1,3-dimethylcyclopentene
SMILESCCC1C(C)C=C(C)C1F
InChIInChI=1S/C9H15F/c1-4-8-6(2)5-7(3)9(8)10/h5-6,8-9H,4H2,1-3H3
InChIKeyPLLZHKBOHLWLND-UHFFFAOYSA-N
MW142.22 g/mol
LogP2.95
Rot. Bonds1

About 4-ethyl-5-fluoro-1,3-dimethylcyclopentene

4-ethyl-5-fluoro-1,3-dimethylcyclopentene (PubChem CID 142867206) has the molecular formula C9H15F and a molecular weight of 142.22 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-1,3-dimethylcyclopentene.

Molecular Properties

Compound Name4-ethyl-5-fluoro-1,3-dimethylcyclopentene
PubChem CID142867206
Molecular FormulaC9H15F
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name4-ethyl-5-fluoro-1,3-dimethylcyclopentene
SMILESCCC1C(C)C=C(C)C1F
InChIInChI=1S/C9H15F/c1-4-8-6(2)5-7(3)9(8)10/h5-6,8-9H,4H2,1-3H3
InChIKeyPLLZHKBOHLWLND-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethylcyclobut-2-en-1-ol
CID 173489444
4,5-diethyl-3,6-dimethylcyclohexene
CID 59982962
(6R)-1,3,4,6-tetramethylcyclohexene
CID 173301775
ethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene
CID 144517632
cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
CID 59954456
1,2-diethyl-3,4-dimethylcyclobutane
CID 91590074
1,3-diethyl-2,4,5,6-tetrafluorocyclohexane
CID 88586121
6-ethyl-1,2,3,5-tetramethylcyclohexa-1,3-diene
CID 123748890
5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene
CID 142845653
2-[(1S,4S,5S)-2,4,5-trimethylcyclohex-2-en-1-yl]acetaldehyde
CID 163207858
(5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane
CID 143806596
5-fluoro-2,6-dimethylcyclohexa-1,3-diene
CID 89049672

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-1,3-dimethylcyclopentene?
The IUPAC name of 4-ethyl-5-fluoro-1,3-dimethylcyclopentene (CID 142867206) is 4-ethyl-5-fluoro-1,3-dimethylcyclopentene.
What is the SMILES notation for 4-ethyl-5-fluoro-1,3-dimethylcyclopentene?
The canonical SMILES for 4-ethyl-5-fluoro-1,3-dimethylcyclopentene is CCC1C(C)C=C(C)C1F.
What is the InChIKey of 4-ethyl-5-fluoro-1,3-dimethylcyclopentene?
The InChIKey is PLLZHKBOHLWLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F/c1-4-8-6(2)5-7(3)9(8)10/h5-6,8-9H,4H2,1-3H3.
What are the key properties of 4-ethyl-5-fluoro-1,3-dimethylcyclopentene?
4-ethyl-5-fluoro-1,3-dimethylcyclopentene has a molecular weight of 142.22 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-1,3-dimethylcyclopentene is sourced from PubChem (CID 142867206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).